==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 19-AUG-13 2MCA . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: EUBACTERIUM RECTALE; . AUTHOR A.PROUDFOOT,P.SERRANO,M.GERALT,S.DUTTA,K.WUTHRICH,JOINT CENT . 103 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 31.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 16 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A G 0 0 136 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 51.8 2.4 23.8 -10.5 2 2 A A + 0 0 77 1,-0.1 0, 0.0 3,-0.1 0, 0.0 -0.708 360.0 179.8 -92.9 154.1 2.7 24.3 -6.7 3 3 A Q S S+ 0 0 207 -2,-0.3 -1,-0.1 3,-0.0 3,-0.0 0.514 92.5 27.9-127.9 -14.9 5.8 25.6 -4.9 4 4 A D S S+ 0 0 109 3,-0.0 2,-2.2 1,-0.0 -2,-0.0 0.125 84.9 128.1-122.7 11.1 4.5 25.7 -1.3 5 5 A G + 0 0 25 1,-0.1 2,-2.3 2,-0.1 -3,-0.1 -0.162 11.1 145.3 -73.9 44.1 2.1 22.8 -2.0 6 6 A K + 0 0 150 -2,-2.2 -1,-0.1 1,-0.2 -3,-0.0 -0.469 40.9 113.8 -71.8 62.6 3.2 20.6 1.0 7 7 A E + 0 0 127 -2,-2.3 2,-0.3 2,-0.1 -1,-0.2 -0.520 47.1 96.0-144.4 42.5 -0.5 19.8 1.0 8 8 A T - 0 0 43 44,-0.1 44,-0.3 71,-0.1 42,-0.2 -0.958 68.5-112.6-144.6 149.2 -0.4 16.1 -0.0 9 9 A T E -A 49 0A 0 42,-2.2 40,-2.1 40,-0.7 2,-0.3 -0.428 21.2-130.5 -77.9 170.5 -0.5 12.7 1.9 10 10 A T E -A 48 0A 69 69,-0.4 71,-1.5 38,-0.2 2,-0.4 -0.897 12.6-155.1-109.6 149.8 2.2 10.2 2.2 11 11 A I E -Ab 47 81A 0 36,-2.5 36,-2.3 -2,-0.3 2,-0.4 -0.952 9.8-165.9-118.3 143.0 1.7 6.5 1.5 12 12 A R E -Ab 46 82A 91 69,-1.5 71,-1.1 -2,-0.4 2,-0.3 -0.943 2.8-160.2-140.9 109.7 4.0 4.0 3.2 13 13 A L E -Ab 45 83A 1 32,-2.3 32,-2.1 -2,-0.4 2,-0.4 -0.739 5.0-170.9 -90.9 138.0 4.3 0.3 2.2 14 14 A I E -Ab 44 84A 8 69,-1.6 71,-2.3 -2,-0.3 2,-1.4 -0.995 17.3-148.4-128.6 125.5 5.7 -2.3 4.6 15 15 A N E + b 0 85A 0 28,-2.7 2,-2.3 -2,-0.4 27,-1.7 -0.508 26.4 169.7 -87.2 64.8 6.4 -5.9 3.4 16 16 A Q + 0 0 59 -2,-1.4 71,-0.2 69,-0.7 2,-0.2 -0.278 45.1 95.4 -80.1 58.0 5.7 -7.7 6.7 17 17 A T S S- 0 0 14 -2,-2.3 25,-0.2 2,-0.3 -2,-0.1 -0.512 89.8 -92.2-131.5-170.6 5.8 -11.1 5.1 18 18 A Y S S+ 0 0 160 -2,-0.2 2,-0.2 23,-0.1 23,-0.1 0.245 99.1 43.7 -98.3 12.7 8.1 -14.2 4.3 19 19 A F S S- 0 0 16 21,-0.1 23,-0.4 -4,-0.1 -2,-0.3 -0.735 78.6-106.8-136.8-174.4 9.3 -12.9 0.8 20 20 A N - 0 0 29 -2,-0.2 44,-1.1 21,-0.2 2,-0.3 -0.813 29.0-150.4-108.1 155.3 10.5 -9.9 -1.2 21 21 A V B +DE 39 63B 0 18,-2.2 18,-2.7 -2,-0.3 42,-0.2 -0.920 17.4 179.1-128.6 157.8 8.4 -8.1 -3.8 22 22 A K S S+ 0 0 92 40,-0.8 41,-0.1 -2,-0.3 16,-0.1 0.089 71.2 47.5-143.4 16.0 9.4 -6.2 -7.0 23 23 A N + 0 0 61 39,-0.3 2,-0.7 16,-0.1 14,-0.2 -0.261 58.9 166.0-168.9 55.9 6.3 -4.9 -8.7 24 24 A I E -F 36 0C 0 12,-1.4 12,-1.9 37,-0.2 2,-0.5 -0.824 14.5-167.9 -88.7 114.7 3.8 -3.1 -6.5 25 25 A K E -FG 35 60C 75 35,-3.0 35,-2.2 -2,-0.7 2,-0.4 -0.881 13.8-172.2 -80.6 136.5 1.1 -1.1 -8.3 26 26 A V E -FG 34 59C 0 8,-2.5 8,-2.0 -2,-0.5 2,-0.3 -0.986 10.1-168.7-124.3 147.7 -0.7 1.1 -5.7 27 27 A T E +FG 33 58C 25 31,-0.9 31,-1.2 -2,-0.4 6,-0.3 -0.940 11.1 174.4-124.1 145.1 -3.8 3.2 -6.3 28 28 A W S S+ 0 0 7 4,-2.8 28,-0.4 -2,-0.3 2,-0.3 0.111 70.3 6.0-139.9 15.1 -5.1 5.8 -3.8 29 29 A N S S- 0 0 40 3,-0.8 2,-0.8 29,-0.1 29,-0.1 -0.855 103.7 -63.3-156.3-158.7 -8.0 7.4 -5.6 30 30 A D S S+ 0 0 129 -2,-0.3 3,-0.1 1,-0.1 -3,-0.0 -0.953 129.6 1.5 -93.6 103.5 -9.8 6.8 -8.9 31 31 A G S S+ 0 0 45 -2,-0.8 2,-0.9 1,-0.2 -1,-0.1 0.247 101.8 110.1 106.2 -8.9 -6.8 7.5 -11.3 32 32 A K + 0 0 88 2,-0.0 -4,-2.8 17,-0.0 -3,-0.8 -0.888 44.2 132.8 -93.3 101.3 -4.0 8.2 -8.7 33 33 A E E +F 27 0C 87 -2,-0.9 2,-0.3 -6,-0.3 -6,-0.2 -0.956 22.7 167.2-141.5 160.8 -1.7 5.2 -9.0 34 34 A Q E -F 26 0C 68 -8,-2.0 -8,-2.5 -2,-0.3 2,-0.3 -0.908 28.9-111.6-158.6 175.2 2.1 4.6 -9.3 35 35 A T E -F 25 0C 90 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.879 15.9-141.1-121.9 155.8 4.5 1.7 -9.1 36 36 A V E -F 24 0C 15 -12,-1.9 -12,-1.4 -2,-0.3 3,-0.1 -0.972 12.9-135.9-125.4 132.0 7.3 0.8 -6.5 37 37 A N - 0 0 139 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.870 69.4 -36.3 -50.0 -67.6 10.7 -0.7 -7.5 38 38 A T - 0 0 59 -15,-0.1 2,-0.4 -16,-0.1 -16,-0.3 -0.961 45.2-149.2-157.8 156.9 11.2 -3.5 -4.9 39 39 A L B -D 21 0B 6 -18,-2.7 -18,-2.2 -2,-0.3 3,-0.1 -0.919 23.8-135.8-139.6 114.8 10.5 -4.1 -1.2 40 40 A G > - 0 0 19 -2,-0.4 3,-2.1 -20,-0.2 2,-0.3 0.074 45.1 -64.4 -53.4 168.2 12.9 -6.3 0.8 41 41 A S T 3 S- 0 0 86 1,-0.3 -1,-0.2 -23,-0.1 -21,-0.2 -0.473 126.6 -10.2 -54.5 115.7 12.0 -9.0 3.3 42 42 A H T 3 S+ 0 0 114 -27,-1.7 -1,-0.3 -23,-0.4 -26,-0.2 0.602 109.4 139.9 57.5 19.2 10.2 -6.9 6.1 43 43 A D < - 0 0 88 -3,-2.1 -28,-2.7 -28,-0.3 2,-0.3 -0.264 37.6-148.0 -86.7 176.6 11.4 -3.6 4.4 44 44 A S E -A 14 0A 51 -30,-0.2 2,-0.3 -3,-0.1 -30,-0.2 -0.988 13.5-176.0-148.6 152.7 9.5 -0.4 3.9 45 45 A I E -A 13 0A 60 -32,-2.1 -32,-2.3 -2,-0.3 2,-0.3 -0.979 7.4-161.4-147.1 144.9 9.2 2.6 1.5 46 46 A D E +A 12 0A 98 -2,-0.3 2,-0.3 -34,-0.3 -34,-0.2 -0.982 11.8 176.3-133.7 144.5 7.2 5.8 1.5 47 47 A F E -A 11 0A 29 -36,-2.3 -36,-2.5 -2,-0.3 2,-0.1 -0.968 34.1 -92.6-146.0 155.4 6.3 8.1 -1.3 48 48 A S E -A 10 0A 90 -2,-0.3 2,-0.4 -38,-0.2 -38,-0.2 -0.330 31.4-145.0 -67.6 155.6 4.2 11.2 -1.9 49 49 A S E -A 9 0A 1 -40,-2.1 -40,-0.7 2,-0.2 2,-0.6 -0.997 15.8-128.8-134.4 122.3 0.6 11.0 -3.0 50 50 A D S S+ 0 0 126 -2,-0.4 2,-0.3 -42,-0.2 -40,-0.1 0.175 84.6 66.7 -67.0 14.1 -0.9 13.6 -5.4 51 51 A A S S- 0 0 27 -2,-0.6 -42,-2.2 -42,-0.1 -2,-0.2 -0.982 75.7-131.9-136.3 151.4 -4.0 14.5 -3.3 52 52 A G S S+ 0 0 33 -2,-0.3 2,-0.3 -44,-0.3 -44,-0.1 0.661 92.3 17.3 -74.4 -19.6 -4.3 16.3 0.1 53 53 A S - 0 0 90 -46,-0.1 2,-0.3 -44,-0.1 26,-0.1 -0.958 67.1-171.2-152.6 156.7 -6.7 13.6 1.5 54 54 A V + 0 0 5 24,-0.7 26,-0.2 -2,-0.3 -25,-0.1 -0.975 21.0 178.3-162.0 142.5 -7.7 10.0 0.6 55 55 A Y + 0 0 135 -2,-0.3 21,-2.8 -27,-0.2 2,-0.3 0.422 69.8 53.2-123.5 -9.7 -10.3 7.4 1.6 56 56 A K - 0 0 22 -28,-0.4 2,-0.3 19,-0.2 18,-0.3 -0.921 47.8-178.3-135.4 159.4 -9.4 4.4 -0.8 57 57 A M E - H 0 73C 1 16,-2.5 16,-2.9 -2,-0.3 2,-0.5 -0.911 3.3-173.6-158.1 121.4 -6.5 2.3 -1.8 58 58 A D E -GH 27 72C 42 -31,-1.2 -31,-0.9 -2,-0.3 2,-0.3 -0.969 17.7-178.0-124.2 104.1 -6.5 -0.5 -4.4 59 59 A V E -GH 26 71C 2 12,-2.3 12,-1.5 -2,-0.5 2,-0.3 -0.703 12.1-177.5-107.9 161.2 -3.1 -2.2 -4.4 60 60 A T E +GH 25 70C 44 -35,-2.2 -35,-3.0 -2,-0.3 2,-0.3 -0.888 19.1 146.3-162.9 114.3 -1.9 -5.1 -6.7 61 61 A G E - H 0 69C 1 8,-2.2 8,-1.7 -2,-0.3 2,-0.3 -0.866 31.6-133.0-145.7 178.6 1.5 -6.8 -6.3 62 62 A T E - H 0 68C 29 -2,-0.3 -40,-0.8 6,-0.2 -39,-0.3 -0.996 17.6-126.2-145.8 142.2 3.4 -10.1 -6.7 63 63 A T B > -E 21 0B 3 4,-2.6 3,-1.1 -2,-0.3 -42,-0.2 -0.068 36.9 -96.8 -73.0 174.5 5.9 -12.1 -4.5 64 64 A Q T 3 S+ 0 0 125 -44,-1.1 2,-0.4 1,-0.3 -43,-0.1 0.942 125.7 57.8 -53.8 -48.8 9.3 -13.5 -5.3 65 65 A S T 3 S- 0 0 108 -45,-0.1 -1,-0.3 1,-0.1 -2,-0.1 -0.025 123.6-104.0 -83.6 34.4 7.5 -16.8 -6.0 66 66 A G S < S+ 0 0 61 -3,-1.1 2,-0.4 -2,-0.4 -2,-0.1 0.749 73.3 146.7 66.3 27.5 5.3 -15.2 -8.7 67 67 A E - 0 0 85 0, 0.0 -4,-2.6 0, 0.0 2,-0.5 -0.841 39.3-138.6-114.4 129.1 2.2 -15.1 -6.4 68 68 A K E +H 62 0C 122 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.860 21.1 178.0-109.5 128.2 -0.2 -12.2 -6.7 69 69 A F E -H 61 0C 4 -8,-1.7 -8,-2.2 -2,-0.5 2,-0.3 -0.760 7.7-161.8-118.1 159.5 -1.9 -10.3 -3.9 70 70 A T E -H 60 0C 57 23,-0.3 2,-0.3 -2,-0.3 -10,-0.2 -0.871 12.0-154.7-137.3 169.6 -4.4 -7.4 -3.8 71 71 A G E -H 59 0C 2 -12,-1.5 -12,-2.3 -2,-0.3 2,-0.8 -0.800 14.3-172.2-150.5 89.5 -5.5 -4.8 -1.2 72 72 A H E +H 58 0C 127 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.817 19.2 162.9 -99.1 97.7 -9.0 -3.5 -2.0 73 73 A F E +H 57 0C 39 -16,-2.9 -16,-2.5 -2,-0.8 -18,-0.1 -0.905 27.9 155.9-130.8 149.4 -9.8 -0.6 0.4 74 74 A K + 0 0 158 -2,-0.3 -18,-0.1 -18,-0.3 -1,-0.1 0.152 65.3 81.9-150.4 6.9 -12.3 2.2 0.6 75 75 A G + 0 0 49 -18,-0.1 2,-0.2 2,-0.0 -19,-0.2 -0.188 59.8 129.2-119.5 30.1 -12.4 2.9 4.4 76 76 A L + 0 0 4 -21,-2.8 2,-0.2 23,-0.1 5,-0.1 -0.563 26.1 168.1 -84.8 160.7 -9.3 5.1 4.8 77 77 A V + 0 0 68 3,-0.2 3,-0.4 -2,-0.2 -2,-0.0 -0.850 32.3 55.0-150.2 180.0 -9.3 8.5 6.6 78 78 A G S S- 0 0 53 -2,-0.2 -24,-0.7 1,-0.2 -69,-0.1 -0.047 89.8 -71.5 80.0 178.6 -6.6 10.9 7.9 79 79 A K S S+ 0 0 129 -26,-0.1 -69,-0.4 -70,-0.0 2,-0.3 -0.203 110.1 40.9-109.0 34.5 -3.7 12.7 6.3 80 80 A D - 0 0 100 -3,-0.4 2,-0.3 -71,-0.2 -3,-0.2 -0.924 63.1-156.0-166.5 159.6 -1.4 9.6 5.9 81 81 A T E -b 11 0A 4 -71,-1.5 -69,-1.5 -2,-0.3 2,-0.2 -0.988 6.9-174.0-145.6 140.4 -1.8 5.9 4.9 82 82 A R E -b 12 0A 98 -2,-0.3 2,-0.3 -71,-0.2 -69,-0.2 -0.666 12.8-145.1-116.0 177.8 0.3 2.8 5.6 83 83 A V E -b 13 0A 1 -71,-1.1 -69,-1.6 -2,-0.2 2,-0.8 -0.944 2.3-159.2-146.4 123.2 0.0 -0.8 4.4 84 84 A F E -bC 14 96A 42 12,-2.2 12,-2.7 -2,-0.3 2,-0.6 -0.893 12.1-162.6-100.7 95.7 0.8 -4.0 6.4 85 85 A I E +b 15 0A 1 -71,-2.3 -69,-0.7 -2,-0.8 2,-0.2 -0.785 31.7 148.9 -73.1 121.0 1.4 -6.6 3.7 86 86 A E - 0 0 88 -2,-0.6 8,-1.3 8,-0.5 2,-0.3 -0.651 42.5-105.4-137.4-171.1 1.0 -9.9 5.8 87 87 A L E +I 93 0D 48 6,-0.2 2,-0.2 -71,-0.2 6,-0.2 -0.947 38.0 156.3-121.9 152.6 -0.2 -13.5 5.2 88 88 A D E > +I 92 0D 111 4,-2.5 2,-2.3 -2,-0.3 4,-2.2 -0.865 48.0 37.8-153.9-173.4 -3.4 -15.3 6.2 89 89 A E T 4 S- 0 0 134 1,-0.3 4,-0.1 -2,-0.2 -2,-0.0 -0.387 137.4 -5.8 67.4 -68.2 -5.8 -18.2 5.2 90 90 A N T 4 S- 0 0 124 -2,-2.3 -1,-0.3 2,-0.1 3,-0.1 -0.019 118.8 -73.8-139.3 26.6 -3.1 -20.7 4.3 91 91 A A T 4 S+ 0 0 44 -3,-0.3 2,-0.2 1,-0.3 -2,-0.2 0.700 92.4 151.8 65.5 27.8 0.0 -18.4 4.6 92 92 A D E < -I 88 0D 60 -4,-2.2 -4,-2.5 1,-0.1 2,-0.6 -0.615 55.9 -93.8 -83.4 149.1 -1.4 -17.0 1.3 93 93 A V E +I 87 0D 9 -2,-0.2 -23,-0.3 -6,-0.2 -6,-0.2 -0.518 54.3 162.5 -79.4 115.8 -0.5 -13.3 0.7 94 94 A Q - 0 0 65 -8,-1.3 -8,-0.5 -2,-0.6 2,-0.3 -0.421 31.0-127.2-106.1-174.7 -3.2 -10.9 1.8 95 95 A V + 0 0 18 -10,-0.2 -10,-0.2 -2,-0.2 2,-0.2 -0.985 26.6 179.5-136.2 141.1 -2.9 -7.1 2.5 96 96 A F B -C 84 0A 117 -12,-2.7 -12,-2.2 -2,-0.3 -25,-0.0 -0.741 10.5-152.0-130.6 172.9 -3.9 -5.4 5.7 97 97 A I - 0 0 14 -14,-0.2 2,-2.0 -2,-0.2 -14,-0.1 -0.984 26.8-117.8-151.0 143.9 -3.9 -1.8 7.1 98 98 A P + 0 0 36 0, 0.0 2,-0.1 0, 0.0 -16,-0.1 -0.512 52.8 167.5 -80.4 74.3 -3.7 -0.1 10.5 99 99 A Q - 0 0 45 -2,-2.0 -23,-0.1 1,-0.1 -2,-0.0 -0.408 24.1-166.8 -85.1 168.3 -7.2 1.5 10.3 100 100 A G S S+ 0 0 70 -2,-0.1 -1,-0.1 0, 0.0 -24,-0.1 0.716 77.6 50.7-125.4 -57.8 -8.9 3.1 13.2 101 101 A E S S+ 0 0 135 -26,-0.2 2,-1.7 1,-0.1 -25,-0.0 0.233 71.9 133.5 -81.3 15.4 -12.6 3.8 12.5 102 102 A I 0 0 138 1,-0.2 -1,-0.1 -27,-0.0 -3,-0.0 -0.534 360.0 360.0 -74.7 82.1 -13.2 0.2 11.4 103 103 A D 0 0 204 -2,-1.7 -1,-0.2 0, 0.0 -2,-0.1 0.348 360.0 360.0-133.4 360.0 -16.4 -0.6 13.3